As a prerequisite of chart data extraction, the accurate detection of chart basic elements is essential and mandatory. In contrast to object detection in the general image domain, chart element detection relies heavily on context information as charts are highly structured data visualization formats. To address this, we propose a novel method CACHED, which stands for Context-Aware Chart Element Detection, by integrating a local-global context fusion module consisting of visual context enhancement and positional context encoding with the Cascade R-CNN framework. To improve the generalization of our method for broader applicability, we refine the existing chart element categorization and standardized 18 classes for chart basic elements, excluding plot elements. Our CACHED method, with the updated category of chart elements, achieves state-of-the-art performance in our experiments, underscoring the importance of context in chart element detection. Extending our method to the bar plot detection task, we obtain the best result on the PMC test dataset.
Data extraction from line-chart images is an essential component of the automated document understanding process, as line charts are a ubiquitous data visualization format. However, the amount of visual and structural variations in multi-line graphs makes them particularly challenging for automated parsing. Existing works, however, are not robust to all these variations, either taking an all-chart unified approach or relying on auxiliary information such as legends for line data extraction. In this work, we propose LineFormer, a robust approach to line data extraction using instance segmentation. We achieve state-of-the-art performance on several benchmark synthetic and real chart datasets. Our implementation is available at https://github.com/TheJaeLal/LineFormer .
We introduce Cayley transform ellipsoid fitting (CTEF), an algorithm that uses the Cayley transform to fit ellipsoids to noisy data in any dimension. Unlike many ellipsoid fitting methods, CTEF is ellipsoid specific, meaning it always returns elliptic solutions, and can fit arbitrary ellipsoids. It also significantly outperforms other fitting methods when data are not uniformly distributed over the surface of an ellipsoid. Inspired by growing calls for interpretable and reproducible methods in machine learning, we apply CTEF to dimension reduction, data visualization, and clustering in the context of cell cycle and circadian rhythm data and several classical toy examples. Since CTEF captures global curvature, it extracts nonlinear features in data that other machine learning methods fail to identify. For example, on the clustering examples CTEF outperforms 10 popular algorithms.
The task of dimensionality reduction and visualization of high-dimensional datasets remains a challenging problem since long. Modern high-throughput technologies produce newer high-dimensional datasets having multiple views with relatively new data types. Visualization of these datasets require proper methodology that can uncover hidden patterns in the data without affecting the local and global structures within the data. To this end, however, very few such methodology exist, which can realise this task. In this work, we have introduced a novel unsupervised deep neural network model, called NeuroDAVIS, for data visualization. NeuroDAVIS is capable of extracting important features from the data, without assuming any data distribution, and visualize effectively in lower dimension. It has been shown theoritically that neighbourhood relationship of the data in high dimension remains preserved in lower dimension. The performance of NeuroDAVIS has been evaluated on a wide variety of synthetic and real high-dimensional datasets including numeric, textual, image and biological data. NeuroDAVIS has been highly competitive against both t-Distributed Stochastic Neighbor Embedding (t-SNE) and Uniform Manifold Approximation and Projection (UMAP) with respect to visualization quality, and preservation of data size, shape, and both local and global structure. It has outperformed Fast interpolation-based t-SNE (Fit-SNE), a variant of t-SNE, for most of the high-dimensional datasets as well. For the biological datasets, besides t-SNE, UMAP and Fit-SNE, NeuroDAVIS has also performed well compared to other state-of-the-art algorithms, like Potential of Heat-diffusion for Affinity-based Trajectory Embedding (PHATE) and the siamese neural network-based method, called IVIS. Downstream classification and clustering analyses have also revealed favourable results for NeuroDAVIS-generated embeddings.
Time series classification faces two unavoidable problems. One is partial feature information and the other is poor label quality, which may affect model performance. To address the above issues, we create a label correction method to time series data with meta-learning under a multi-task framework. There are three main contributions. First, we train the label correction model with a two-branch neural network in the outer loop. While in the model-agnostic inner loop, we use pre-existing classification models in a multi-task way and jointly update the meta-knowledge so as to help us achieve adaptive labeling on complex time series. Second, we devise new data visualization methods for both image patterns of the historical data and data in the prediction horizon. Finally, we test our method with various financial datasets, including XOM, S\&P500, and SZ50. Results show that our method is more effective and accurate than some existing label correction techniques.
Gaussian process (GP) is a Bayesian model which provides several advantages for regression tasks in machine learning such as reliable quantitation of uncertainty and improved interpretability. Their adoption has been precluded by their excessive computational cost and by the difficulty in adapting them for analyzing sequences (e.g. amino acid and nucleotide sequences) and graphs (e.g. ones representing small molecules). In this study, we develop efficient and scalable approaches for fitting GP models as well as fast convolution kernels which scale linearly with graph or sequence size. We implement these improvements by building an open-source Python library called xGPR. We compare the performance of xGPR with the reported performance of various deep learning models on 20 benchmarks, including small molecule, protein sequence and tabular data. We show that xGRP achieves highly competitive performance with much shorter training time. Furthermore, we also develop new kernels for sequence and graph data and show that xGPR generally outperforms convolutional neural networks on predicting key properties of proteins and small molecules. Importantly, xGPR provides uncertainty information not available from typical deep learning models. Additionally, xGPR provides a representation of the input data that can be used for clustering and data visualization. These results demonstrate that xGPR provides a powerful and generic tool that can be broadly useful in protein engineering and drug discovery.
Most packages for the analysis of fMRI-based functional connectivity (FC) and genomic data are used with a programming language interface, lacking an easy-to-navigate GUI frontend. This exacerbates two problems found in these types of data: demographic confounds and quality control in the face of high dimensionality of features. The reason is that it is too slow and cumbersome to use a programming interface to create all the necessary visualizations required to identify all correlations, confounding effects, or quality control problems in a dataset. To remedy this situation, we have developed ImageNomer, a data visualization and analysis tool that allows inspection of both subject-level and cohort-level demographic, genomic, and imaging features. The software is Python-based, runs in a self-contained Docker image, and contains a browser-based GUI frontend. We demonstrate the usefulness of ImageNomer by identifying an unexpected race confound when predicting achievement scores in the Philadelphia Neurodevelopmental Cohort (PNC) dataset. In the past, many studies have attempted to use FC to identify achievement-related features in fMRI. Using ImageNomer, we find a clear potential for confounding effects of race. Using correlation analysis in the ImageNomer software, we show that FCs correlated with Wide Range Achievement Test (WRAT) score are in fact more highly correlated with race. Investigating further, we find that whereas both FC and SNP (genomic) features can account for 10-15\% of WRAT score variation, this predictive ability disappears when controlling for race. In this work, we demonstrate the advantage of our ImageNomer GUI tool in data exploration and confound detection. Additionally, this work identifies race as a strong confound in FC data and casts doubt on the possibility of finding unbiased achievement-related features in fMRI and SNP data of healthy adolescents.
The degree to which subjects differ from each other with respect to certain properties measured by a set of variables, plays an important role in many statistical methods. For example, classification, clustering, and data visualization methods all require a quantification of differences in the observed values. We can refer to the quantification of such differences, as distance. An appropriate definition of a distance depends on the nature of the data and the problem at hand. For distances between numerical variables, there exist many definitions that depend on the size of the observed differences. For categorical data, the definition of a distance is more complex, as there is no straightforward quantification of the size of the observed differences. Consequently, many proposals exist that can be used to measure differences based on categorical variables. In this paper, we introduce a general framework that allows for an efficient and transparent implementation of distances between observations on categorical variables. We show that several existing distances can be incorporated into the framework. Moreover, our framework quite naturally leads to the introduction of new distance formulations and allows for the implementation of flexible, case and data specific distance definitions. Furthermore, in a supervised classification setting, the framework can be used to construct distances that incorporate the association between the response and predictor variables and hence improve the performance of distance-based classifiers.
Deep learning methods are primarily proposed for supervised learning of images or text with limited applications to clustering problems. In contrast, tabular data with heterogeneous features pose unique challenges in representation learning, where deep learning has yet to replace traditional machine learning. This paper addresses these challenges in developing one of the first deep clustering methods for tabular data: Gaussian Cluster Embedding in Autoencoder Latent Space (G-CEALS). G-CEALS is an unsupervised deep clustering framework for learning the parameters of multivariate Gaussian cluster distributions by iteratively updating individual cluster weights. The G-CEALS method presents average rank orderings of 2.9(1.7) and 2.8(1.7) based on clustering accuracy and adjusted Rand index (ARI) scores on sixteen tabular data sets, respectively, and outperforms nine state-of-the-art clustering methods. G-CEALS substantially improves clustering performance compared to traditional K-means and GMM, which are still de facto methods for clustering tabular data. Similar computationally efficient and high-performing deep clustering frameworks are imperative to reap the myriad benefits of deep learning on tabular data over traditional machine learning.
Dimension reduction and data visualization aim to project a high-dimensional dataset to a low-dimensional space while capturing the intrinsic structures in the data. It is an indispensable part of modern data science, and many dimensional reduction and visualization algorithms have been developed. However, different algorithms have their own strengths and weaknesses, making it critically important to evaluate their relative performance for a given dataset, and to leverage and combine their individual strengths. In this paper, we propose an efficient spectral method for assessing and combining multiple visualizations of a given dataset produced by diverse algorithms. The proposed method provides a quantitative measure -- the visualization eigenscore -- of the relative performance of the visualizations for preserving the structure around each data point. Then it leverages the eigenscores to obtain a consensus visualization, which has much improved { quality over the individual visualizations in capturing the underlying true data structure.} Our approach is flexible and works as a wrapper around any visualizations. We analyze multiple simulated and real-world datasets from diverse applications to demonstrate the effectiveness of the eigenscores for evaluating visualizations and the superiority of the proposed consensus visualization. Furthermore, we establish rigorous theoretical justification of our method based on a general statistical framework, yielding fundamental principles behind the empirical success of consensus visualization along with practical guidance.
Time series are measured and analyzed across the sciences. One method of quantifying the structure of time series is by calculating a set of summary statistics or `features', and then representing a time series in terms of its properties as a feature vector. The resulting feature space is interpretable and informative, and enables conventional statistical learning approaches, including clustering, regression, and classification, to be applied to time-series datasets. Many open-source software packages for computing sets of time-series features exist across multiple programming languages, including catch22 (22 features: Matlab, R, Python, Julia), feasts (42 features: R), tsfeatures (63 features: R), Kats (40 features: Python), tsfresh (779 features: Python), and TSFEL (390 features: Python). However, there are several issues: (i) a singular access point to these packages is not currently available; (ii) to access all feature sets, users must be fluent in multiple languages; and (iii) these feature-extraction packages lack extensive accompanying methodological pipelines for performing feature-based time-series analysis, such as applications to time-series classification. Here we introduce a solution to these issues in an R software package called theft: Tools for Handling Extraction of Features from Time series. theft is a unified and extendable framework for computing features from the six open-source time-series feature sets listed above. It also includes a suite of functions for processing and interpreting the performance of extracted features, including extensive data-visualization templates, low-dimensional projections, and time-series classification operations. With an increasing volume and complexity of time-series datasets in the sciences and industry, theft provides a standardized framework for comprehensively quantifying and interpreting informative structure in time series.
The utilization of artificial intelligence (AI) applications has experienced tremendous growth in recent years, bringing forth numerous benefits and conveniences. However, this expansion has also provoked ethical concerns, such as privacy breaches, algorithmic discrimination, security and reliability issues, transparency, and other unintended consequences. To determine whether a global consensus exists regarding the ethical principles that should govern AI applications and to contribute to the formation of future regulations, this paper conducts a meta-analysis of 200 governance policies and ethical guidelines for AI usage published by public bodies, academic institutions, private companies, and civil society organizations worldwide. We identified at least 17 resonating principles prevalent in the policies and guidelines of our dataset, released as an open-source database and tool. We present the limitations of performing a global scale analysis study paired with a critical analysis of our findings, presenting areas of consensus that should be incorporated into future regulatory efforts. All components tied to this work can be found in https://nkluge-correa.github.io/worldwide_AI-ethics/
Visual analytics is arguably the most important step in getting acquainted with your data. This is especially the case for time series, as this data type is hard to describe and cannot be fully understood when using for example summary statistics. To realize effective time series visualization, four requirements have to be met; a tool should be (1) interactive, (2) scalable to millions of data points, (3) integrable in conventional data science environments, and (4) highly configurable. We observe that open source Python visualization toolkits empower data scientists in most visual analytics tasks, but lack the combination of scalability and interactivity to realize effective time series visualization. As a means to facilitate these requirements, we created Plotly-Resampler, an open source Python library. Plotly-Resampler is an add-on for Plotly's Python bindings, enhancing line chart scalability on top of an interactive toolkit by aggregating the underlying data depending on the current graph view. Plotly-Resampler is built to be snappy, as the reactivity of a tool qualitatively affects how analysts visually explore and analyze data. A benchmark task highlights how our toolkit scales better than alternatives in terms of number of samples and time series. Additionally, Plotly-Resampler's flexible data aggregation functionality paves the path towards researching novel aggregation techniques. Plotly-Resampler's integrability, together with its configurability, convenience, and high scalability, allows to effectively analyze high-frequency data in your day-to-day Python environment.
Dimensionality reduction is a popular preprocessing and a widely used tool in data mining. Transparency, which is usually achieved by means of explanations, is nowadays a widely accepted and crucial requirement of machine learning based systems like classifiers and recommender systems. However, transparency of dimensionality reduction and other data mining tools have not been considered in much depth yet, still it is crucial to understand their behavior -- in particular practitioners might want to understand why a specific sample got mapped to a specific location. In order to (locally) understand the behavior of a given dimensionality reduction method, we introduce the abstract concept of contrasting explanations for dimensionality reduction, and apply a realization of this concept to the specific application of explaining two dimensional data visualization.
Contrastive learning, especially self-supervised contrastive learning (SSCL), has achieved great success in extracting powerful features from unlabeled data. In this work, we contribute to the theoretical understanding of SSCL and uncover its connection to the classic data visualization method, stochastic neighbor embedding (SNE), whose goal is to preserve pairwise distances. From the perspective of preserving neighboring information, SSCL can be viewed as a special case of SNE with the input space pairwise similarities specified by data augmentation. The established correspondence facilitates deeper theoretical understanding of learned features of SSCL, as well as methodological guidelines for practical improvement. Specifically, through the lens of SNE, we provide novel analysis on domain-agnostic augmentations, implicit bias and robustness of learned features. To illustrate the practical advantage, we demonstrate that the modifications from SNE to $t$-SNE can also be adopted in the SSCL setting, achieving significant improvement in both in-distribution and out-of-distribution generalization.
This paper presents the kernelized Taylor diagram, a graphical framework for visualizing similarities between data populations. The kernelized Taylor diagram builds on the widely used Taylor diagram, which is used to visualize similarities between populations. However, the Taylor diagram has several limitations such as not capturing non-linear relationships and sensitivity to outliers. To address such limitations, we propose the kernelized Taylor diagram. Our proposed kernelized Taylor diagram is capable of visualizing similarities between populations with minimal assumptions of the data distributions. The kernelized Taylor diagram relates the maximum mean discrepancy and the kernel mean embedding in a single diagram, a construction that, to the best of our knowledge, have not been devised prior to this work. We believe that the kernelized Taylor diagram can be a valuable tool in data visualization.
There has been significant progress in machine learning algorithms for human pose estimation that may provide immense value in rehabilitation and movement sciences. However, there remain several challenges to routine use of these tools for clinical practice and translational research, including: 1) high technical barrier to entry, 2) rapidly evolving space of algorithms, 3) challenging algorithmic interdependencies, and 4) complex data management requirements between these components. To mitigate these barriers, we developed a human pose estimation pipeline that facilitates running state-of-the-art algorithms on data acquired in clinical context. Our system allows for running different implementations of several classes of algorithms and handles their interdependencies easily. These algorithm classes include subject identification and tracking, 2D keypoint detection, 3D joint location estimation, and estimating the pose of body models. The system uses a database to manage videos, intermediate analyses, and data for computations at each stage. It also provides tools for data visualization, including generating video overlays that also obscure faces to enhance privacy. Our goal in this work is not to train new algorithms, but to advance the use of cutting-edge human pose estimation algorithms for clinical and translation research. We show that this tool facilitates analyzing large numbers of videos of human movement ranging from gait laboratories analyses, to clinic and therapy visits, to people in the community. We also highlight limitations of these algorithms when applied to clinical populations in a rehabilitation setting.
In this paper, we bring forward the use of the recently developed Signature Transform as a way to measure the similarity between image distributions and provide detailed acquaintance and extensive evaluations. We are the first to pioneer RMSE and MAE Signature, along with log-signature as an alternative to measure GAN convergence, a problem that has been extensively studied. We are also forerunners to introduce analytical measures based on statistics to study the goodness of fit of the GAN sample distribution that are both efficient and effective. Current GAN measures involve lots of computation normally done at the GPU and are very time consuming. In contrast, we diminish the computation time to the order of seconds and computation is done at the CPU achieving the same level of goodness. Lastly, a PCA adaptive t-SNE approach, which is novel in this context, is also proposed for data visualization.
Dimensionality reduction techniques are powerful tools for data preprocessing and visualization which typically come with few guarantees concerning the topological correctness of an embedding. The interleaving distance between the persistent homology of Vietoris-Rips filtrations can be used to identify a scale at which topological features such as clusters or holes in an embedding and original data set are in correspondence. We show how optimization seeking to minimize the interleaving distance can be incorporated into dimensionality reduction algorithms, and explicitly demonstrate its use in finding an optimal linear projection. We demonstrate the utility of this framework to data visualization.
Dimensionality reduction methods have found vast application as visualization tools in diverse areas of science. Although many different methods exist, their performance is often insufficient for providing quick insight into many contemporary datasets, and the unsupervised mode of use prevents the users from utilizing the methods for dataset exploration and fine-tuning the details for improved visualization quality. We present BlosSOM, a high-performance semi-supervised dimensionality reduction software for interactive user-steerable visualization of high-dimensional datasets with millions of individual data points. BlosSOM builds on a GPU-accelerated implementation of the EmbedSOM algorithm, complemented by several landmark-based algorithms for interfacing the unsupervised model learning algorithms with the user supervision. We show the application of BlosSOM on realistic datasets, where it helps to produce high-quality visualizations that incorporate user-specified layout and focus on certain features. We believe the semi-supervised dimensionality reduction will improve the data visualization possibilities for science areas such as single-cell cytometry, and provide a fast and efficient base methodology for new directions in dataset exploration and annotation.